3-Oxo-3-(4-phenylpiperazin-1-yl)propanenitrile
TL;DR: 3-Oxo-3-(4-phenylpiperazin-1-yl)propanenitrile (CAS 1481-20-5) is a chemical compound with molecular formula C13H15N3O and molecular weight 229.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-3-(4-phenylpiperazin-1-yl)propanenitrile
Also Known As: 3-oxo-3-(4-phenylpiperazin-1-yl)propanenitrile, 3-oxo-3-(4-phenylpiperazino)propanenitrile, 3-Oxo-3-(4-phenyl-piperazin-1-yl)-propionitrile, oxophenylpiperazinopropanenitrile, b-Oxo-4-phenyl-1-piperazinepropanenitrile
| Molecular Formula | C13H15N3O |
|---|---|
| Molecular Weight | 229.12 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 47.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.1215 |
| Heavy Atoms | 17 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 1481-20-5 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)C(=O)CC#N |
| InChIKey | ALISXWJRKBXOHC-UHFFFAOYSA-N |
Product Overview
3-Oxo-3-(4-phenylpiperazin-1-yl)propanenitrile (CAS 1481-20-5), with molecular formula C13H15N3O and molecular weight 229.12 g/mol. IUPAC: 3-oxo-3-(4-phenylpiperazin-1-yl)propanenitrile.
Chemical Property Profile of 3-Oxo-3-(4-phenylpiperazin-1-yl)propanenitrile
Property Insights of 3-Oxo-3-(4-phenylpiperazin-1-yl)propanenitrile
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxo-3-(4-phenylpiperazin-1-yl)propanenitrile. With a topological polar surface area (TPSA) of 47.3 Ų, 3-Oxo-3-(4-phenylpiperazin-1-yl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxo-3-(4-phenylpiperazin-1-yl)propanenitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Oxo-3-(4-phenylpiperazin-1-yl)propanenitrile?
The CAS number of 3-Oxo-3-(4-phenylpiperazin-1-yl)propanenitrile is 1481-20-5.
What is the molecular formula of 3-Oxo-3-(4-phenylpiperazin-1-yl)propanenitrile?
The molecular formula of 3-Oxo-3-(4-phenylpiperazin-1-yl)propanenitrile is C13H15N3O.
What is the molecular weight of 3-Oxo-3-(4-phenylpiperazin-1-yl)propanenitrile?
The molecular weight of 3-Oxo-3-(4-phenylpiperazin-1-yl)propanenitrile is 229.12 g/mol.
Where can I buy 3-Oxo-3-(4-phenylpiperazin-1-yl)propanenitrile?
You can request a quote for 3-Oxo-3-(4-phenylpiperazin-1-yl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxo-3-(4-phenylpiperazin-1-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-3-(4-phenylpiperazin-1-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.